Dataset

Imidacloprid-urea; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA238613D9F1PH contains the MS2 mass spectrum of Imidacloprid-urea with the InChIkey ADWTYURAFSWNSU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)
SMILES ClC1=NC=C(CN2CCNC2=O)C=C1
InChI Key ADWTYURAFSWNSU-UHFFFAOYSA-N
Molecular Formula C9H10ClN3O
Exact Mass 211.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA238613D9F1PH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-12
Related Molecule
  • 1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL71188 ChEMBL
    PAXNUZ CCDC
    J468.137A Nikkaji
    DTXSID1037563 EPA CompTox Dashboard
    83544 ChEBI
    50472294 BindingDB
    96078761 PubChem: Thomson Pharma
    15390532 PubChem
    PD167467 ProbesDrugs
    575W874H6J FDA SRS
    120868-66-8 ACToR
    ZINC000013798238 ZINC
    MTBLC83544 Metabolights
    20182596 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.